General Information of the Compound
| Compound ID |
CP0409848
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| Compound Name |
2-(5-methyl-3-phenyl-1-quinolin-4-ylpyrazol-4-yl)acetic acid
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| Structure |
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| Formula |
C21H17N3O2
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| Molecular Weight |
343.386
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| Canonical SMILES |
Cc1c(CC(O)=O)c(nn1-c1ccnc2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C21H17N3O2/c1-14-17(13-20(25)26)21(15-7-3-2-4-8-15)23-24(14)19-11-12-22-18-10-6-5-9-16(18)19/h2-12H,13H2,1H3,(H,25,26)
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| InChIKey |
ABPGVHAQYOKGMS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound